NP-MRD: Showing NP-Card for Neobavaisoflavone (NP0056531)

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Record Information

Version

2.0

Created at

2022-04-28 02:16:56 UTC

Updated at

2022-04-28 02:16:56 UTC

NP-MRD ID

NP0056531

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Neobavaisoflavone

Description

Neobavaisoflavone belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, neobavaisoflavone is considered to be a flavonoid lipid molecule. Neobavaisoflavone is found in Psoralea corylifolia , Erythrina latissima, Erythrina sigmoidea, Lespedeza cyrtobotrya and Pueraria tuberosa. Neobavaisoflavone was first documented in 1998 (PMID: 9544566). Neobavaisoflavone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 22397994) (PMID: 23323951).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.4710    1.2553   -1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    1.2992   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.5585   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.2402    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587    0.1739    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122   -0.7975    1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714   -0.4524    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059   -1.3626    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.9647   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -1.6420   -1.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362   -1.3013   -1.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0649   -0.3078   -1.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2870    0.0214   -1.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0376    1.0673   -1.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2745    1.3986   -1.8619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5447    1.7946   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194    1.4564    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    0.4127   -0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227    0.0892    0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602    0.7519    1.3107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469   -2.6860    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671   -3.0988    1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473   -2.1545    1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433   -2.6169    1.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4108    1.6794   -0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    0.2395   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    1.8975   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    2.4363   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741    3.3240   -0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9262    2.9341    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932   -0.6812    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.0454    2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498    1.1977    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684    0.5941    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5835   -2.4703   -1.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6806   -0.5587   -2.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6856    0.9074   -2.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1013    2.6183    0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8848    2.0075    1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7769   -3.4553    0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -4.1728    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -3.5870    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 23  6  1  0
 19  9  1  0
 18 12  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  7 34  1  0
 21 40  1  0
 22 41  1  0
 24 42  1  0
 10 35  1  0
 13 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
M  END

  Mrv1533004251504022D          

 24 26  0  0  0  0            999 V2000
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0056531

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=CC(=CC=C1O)C1=COC2=CC(O)=CC=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3

> <INCHI_KEY>
OBGPEBYHGIUFBN-UHFFFAOYSA-N

> <FORMULA>
C20H18O4

> <MOLECULAR_WEIGHT>
322.36

> <EXACT_MASS>
322.12050906

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
35.32764217164146

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

> <ALOGPS_LOGP>
4.24

> <JCHEM_LOGP>
4.459004710666667

> <ALOGPS_LOGS>
-4.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.769258696371775

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.475986331921745

> <JCHEM_PKA_STRONGEST_BASIC>
-5.336113723098537

> <JCHEM_POLAR_SURFACE_AREA>
66.75999999999999

> <JCHEM_REFRACTIVITY>
93.94479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.68e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
neobavaisoflavone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10                                                            
CONECT   12    7   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   15   22                                                  
CONECT   22   21   12   23                                                  
CONECT   23   22                                                            
CONECT   24    2                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
7,4'-Dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone	ChEBI
7,4'-Dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone	ChEBI
7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one	ChEBI
7,4'-Dihydroxy-3'-(g,g-dimethylallyl)isoflavone	Generator
7,4'-Dihydroxy-3'-(γ,γ-dimethylallyl)isoflavone	Generator

Chemical Formula

C₂₀H₁₈O₄

Average Mass

322.3600 Da

Monoisotopic Mass

322.12051 Da

IUPAC Name

7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

Traditional Name

neobavaisoflavone

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=CC(=CC=C1O)C1=COC2=CC(O)=CC=C2C1=O

InChI Identifier

InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3

InChI Key

OBGPEBYHGIUFBN-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cullen corylifolium	Plant	KNApSAcK
Erythrina latissima	Plant	KNApSAcK
Erythrina sigmoidea	Plant	KNApSAcK
Lespedeza cyrtobotrya	Plant	KNApSAcK
Pueraria tuberosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents

Substituents

Isoflavone
Hydroxyisoflavonoid
Chromone
Benzopyran
1-benzopyran
Pyranone
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Pyran
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

7-hydroxyisoflavones (CHEBI:66614 )
Isoflavonoids (LMPK12050027 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.24	ALOGPS
logP	4.46	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	6.48	ChemAxon
pKa (Strongest Basic)	-5.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	93.94 m³·mol⁻¹	ChemAxon
Polarizability	35.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

66614

Good Scents ID

Not Available

References

General References

Don MJ, Lin LC, Chiou WF: Neobavaisoflavone stimulates osteogenesis via p38-mediated up-regulation of transcription factors and osteoid genes expression in MC3T3-E1 cells. Phytomedicine. 2012 Apr 15;19(6):551-61. doi: 10.1016/j.phymed.2012.01.006. Epub 2012 Mar 6. [PubMed:22397994 ]
Kim DW, Seo KH, Curtis-Long MJ, Oh KY, Oh JW, Cho JK, Lee KH, Park KH: Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of Psoralea corylifolia. J Enzyme Inhib Med Chem. 2014 Feb;29(1):59-63. doi: 10.3109/14756366.2012.753591. Epub 2013 Jan 16. [PubMed:23323951 ]
Sun NJ, Woo SH, Cassady JM, Snapka RM: DNA polymerase and topoisomerase II inhibitors from Psoralea corylifolia. J Nat Prod. 1998 Mar;61(3):362-6. doi: 10.1021/np970488q. [PubMed:9544566 ]

Showing NP-Card for Neobavaisoflavone (NP0056531)

MOL for NP0056531 (Neobavaisoflavone)

3D MOL for NP0056531 (Neobavaisoflavone)

3D SDF for NP0056531 (Neobavaisoflavone)

3D-SDF for NP0056531 (Neobavaisoflavone)

PDB for NP0056531 (Neobavaisoflavone)

3D PDB for NP0056531 (Neobavaisoflavone)

SMILES for NP0056531 (Neobavaisoflavone)

INCHI for NP0056531 (Neobavaisoflavone)

Structure for NP0056531 (Neobavaisoflavone)

3D Structure for NP0056531 (Neobavaisoflavone)